2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile

C14H17FN2 — CID 81365372

IUPAC2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
SMILESC[C@H](NCC1(CC#N)CC1)c1cccc(F)c1
InChIInChI=1S/C14H17FN2/c1-11(12-3-2-4-13(15)9-12)17-10-14(5-6-14)7-8-16/h2-4,9,11,17H,5-7,10H2,1H3/t11-/m0/s1
InChIKeyISRSKEBEWUQGAN-NSHDSACASA-N
MW232.30 g/mol
LogP3.17
Rot. Bonds5

About 2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile

2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile (PubChem CID 81365372) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
PubChem CID81365372
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
SMILESC[C@H](NCC1(CC#N)CC1)c1cccc(F)c1
InChIInChI=1S/C14H17FN2/c1-11(12-3-2-4-13(15)9-12)17-10-14(5-6-14)7-8-16/h2-4,9,11,17H,5-7,10H2,1H3/t11-/m0/s1
InChIKeyISRSKEBEWUQGAN-NSHDSACASA-N
XLogP3.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 103904006
2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480567
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methylpropanenitrile
CID 81365817
(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81365715
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81365300
2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65481545
2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81382987
3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270703
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
4-[1-(3-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
CID 65248124
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile (CID 81365372) is 2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile is C[C@H](NCC1(CC#N)CC1)c1cccc(F)c1.
What is the InChIKey of 2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is ISRSKEBEWUQGAN-NSHDSACASA-N. The full InChI is InChI=1S/C14H17FN2/c1-11(12-3-2-4-13(15)9-12)17-10-14(5-6-14)7-8-16/h2-4,9,11,17H,5-7,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 81365372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).